Fmoc-(N'-Boc)-D-ornithine supplier

Name
FMOC-D-ORN(BOC)-OH
EINECS
CAS No. 118476-89-4
Article Data10
CAS DataBase
Density 1.226 g/cm³
Solubility
Melting Point
Formula C₂₅H₃₀N₂O₆
Boiling Point 679.036 °C at 760 mmHg
Molecular Weight 454.523
Flash Point 364.468 °C
Transport Information
Appearance
Safety 60-61
Risk Codes 50/53
Molecular Structure
Hazard Symbols N
Synonyms (R)-5-[(tert-Butoxycarbonyl)amino]-2-[[[(9H-fluoren-9-yl)methoxy]carbonyl]amino]pentanoicacid;N-Fmoc-N'-Boc-D-Ornithine;Fmoc-D-Orn(Boc)-OH;
PSA 113.96000
LogP 5.06500

Fmoc-(N'-Boc)-D-ornithine Specification

The D-Ornithine,N5-[(1,1-dimethylethoxy)carbonyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-, with CAS registry number 118476-89-4, has the systematic name of (2R)-5-(tert-butoxycarbonylamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid. And the chemical formula of this chemical is C₂₅H₃₀N₂O₆.

Physical properties of D-Ornithine,N5-[(1,1-dimethylethoxy)carbonyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-: (1)ACD/LogP: 5.04; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.99; (4)ACD/LogD (pH 7.4): 1.5; (5)ACD/BCF (pH 5.5): 35.18; (6)ACD/BCF (pH 7.4): 1.15; (7)ACD/KOC (pH 5.5): 116.09; (8)ACD/KOC (pH 7.4): 3.78; (9)#H bond acceptors: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 113.96 Å²; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 121.67 cm³; (15)Molar Volume: 370.6 cm³; (16)Polarizability: 48.23×10^-24cm³; (17)Surface Tension: 50.5 dyne/cm; (18)Enthalpy of Vaporization: 104.68 kJ/mol; (19)Vapour Pressure: 2.28E-19 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)NCCCC(C(=O)O)NC(=O)OCC1c2ccccc2-c3c1cccc3
(2)InChI: InChI=1/C25H30N2O6/c1-25(2,3)33-23(30)26-14-8-13-21(22(28)29)27-24(31)32-15-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h4-7,9-12,20-21H,8,13-15H2,1-3H3,(H,26,30)(H,27,31)(H,28,29)/t21-/m1/s1
(3)InChIKey: JOOIZTMAHNLNHE-OAQYLSRUBM
(4)Std. InChI: InChI=1S/C25H30N2O6/c1-25(2,3)33-23(30)26-14-8-13-21(22(28)29)27-24(31)32-15-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h4-7,9-12,20-21H,8,13-15H2,1-3H3,(H,26,30)(H,27,31)(H,28,29)/t21-/m1/s1
(5)Std. InChIKey: JOOIZTMAHNLNHE-OAQYLSRUSA-N

Product Name

FMOC-D-ORN(BOC)-OH

Fmoc-(N'-Boc)-D-ornithine Specification

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